1-hydroxy-1-[(E)-4-(5-methylfuran-2-yl)but-3-en-2-yl]urea

C10H14N2O3 — CID 10656046

IUPAC1-hydroxy-1-[(E)-4-(5-methylfuran-2-yl)but-3-en-2-yl]urea
SMILESCc1ccc(/C=C/C(C)N(O)C(N)=O)o1
InChIInChI=1S/C10H14N2O3/c1-7(12(14)10(11)13)3-5-9-6-4-8(2)15-9/h3-7,14H,1-2H3,(H2,11,13)/b5-3+
InChIKeyAIUMBEQUTVLBBS-HWKANZROSA-N
MW210.23 g/mol
LogP1.76
Rot. Bonds3

About 1-hydroxy-1-[(E)-4-(5-methylfuran-2-yl)but-3-en-2-yl]urea

1-hydroxy-1-[(E)-4-(5-methylfuran-2-yl)but-3-en-2-yl]urea (PubChem CID 10656046) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 1-hydroxy-1-[(E)-4-(5-methylfuran-2-yl)but-3-en-2-yl]urea.

Molecular Properties

Compound Name1-hydroxy-1-[(E)-4-(5-methylfuran-2-yl)but-3-en-2-yl]urea
PubChem CID10656046
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name1-hydroxy-1-[(E)-4-(5-methylfuran-2-yl)but-3-en-2-yl]urea
SMILESCc1ccc(/C=C/C(C)N(O)C(N)=O)o1
InChIInChI=1S/C10H14N2O3/c1-7(12(14)10(11)13)3-5-9-6-4-8(2)15-9/h3-7,14H,1-2H3,(H2,11,13)/b5-3+
InChIKeyAIUMBEQUTVLBBS-HWKANZROSA-N
XLogP1.76
TPSA79.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-{1-[5-(4-fluorophenoxy)furan-2-yl]ethyl}-N-hydroxyurea
CID 9796542
N-[3-(2-furyl)-1-methylprop-2-ynyl]-N-hydroxyurea
CID 10559708
N-{(2Z)-3-[5-(4-fluorophenoxy)furan-2-yl]-1-methylprop-2-enyl}-N-hydroxyurea
CID 10686077
1-[(E)-4-(furan-2-yl)but-3-en-2-yl]-1-hydroxyurea
CID 10726535
N-hydroxy-N-[(2E)-3-(5-methyl-2-furyl)prop-2-enyl]urea
CID 10774258
N-[1-(2,5-dimethyl-3-furyl)ethyl]-N-hydroxyurea
CID 10535951
N-hydroxy-N-[(5-methyl-2-furyl)methyl]urea
CID 10607231
N-[(2E)-3-(2-furyl)prop-2-enyl]-N-hydroxyurea
CID 10749931
(2E)-3-(furan-2-yl)-N-(propan-2-yl)prop-2-enamide
CID 963878
1-[4-(Furan-2-yl)but-3-en-2-yl]-1-hydroxyurea
CID 49823923
(E)-N,N-dimethyl-3-(5-methylfuran-2-yl)prop-2-enamide
CID 42636811
(2E)-3-(Furan-2-yl)-N-methoxy-N-methylprop-2-enamide
CID 15141047

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-[(E)-4-(5-methylfuran-2-yl)but-3-en-2-yl]urea?
The IUPAC name of 1-hydroxy-1-[(E)-4-(5-methylfuran-2-yl)but-3-en-2-yl]urea (CID 10656046) is 1-hydroxy-1-[(E)-4-(5-methylfuran-2-yl)but-3-en-2-yl]urea.
What is the SMILES notation for 1-hydroxy-1-[(E)-4-(5-methylfuran-2-yl)but-3-en-2-yl]urea?
The canonical SMILES for 1-hydroxy-1-[(E)-4-(5-methylfuran-2-yl)but-3-en-2-yl]urea is Cc1ccc(/C=C/C(C)N(O)C(N)=O)o1.
What is the InChIKey of 1-hydroxy-1-[(E)-4-(5-methylfuran-2-yl)but-3-en-2-yl]urea?
The InChIKey is AIUMBEQUTVLBBS-HWKANZROSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-7(12(14)10(11)13)3-5-9-6-4-8(2)15-9/h3-7,14H,1-2H3,(H2,11,13)/b5-3+.
What are the key properties of 1-hydroxy-1-[(E)-4-(5-methylfuran-2-yl)but-3-en-2-yl]urea?
1-hydroxy-1-[(E)-4-(5-methylfuran-2-yl)but-3-en-2-yl]urea has a molecular weight of 210.23 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[(E)-4-(5-methylfuran-2-yl)but-3-en-2-yl]urea is sourced from PubChem (CID 10656046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).